2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide

C16H25N3O3S — CID 75373729

IUPAC2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(OCC1CC1)C(=O)N(CC1CN(C)CCO1)c1nccs1
InChIInChI=1S/C16H25N3O3S/c1-12(22-11-13-3-4-13)15(20)19(16-17-5-8-23-16)10-14-9-18(2)6-7-21-14/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3
InChIKeyHVEPWKCSINFKKU-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.62
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide

2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 75373729) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID75373729
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(OCC1CC1)C(=O)N(CC1CN(C)CCO1)c1nccs1
InChIInChI=1S/C16H25N3O3S/c1-12(22-11-13-3-4-13)15(20)19(16-17-5-8-23-16)10-14-9-18(2)6-7-21-14/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3
InChIKeyHVEPWKCSINFKKU-UHFFFAOYSA-N
XLogP1.62
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide (CID 75373729) is 2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide is CC(OCC1CC1)C(=O)N(CC1CN(C)CCO1)c1nccs1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is HVEPWKCSINFKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(22-11-13-3-4-13)15(20)19(16-17-5-8-23-16)10-14-9-18(2)6-7-21-14/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide?
2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 339.46 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 75373729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).